pyrimethanil

Identification (Source:EPA,EU)

ID 685
Name pyrimethanil
CAS 53112-28-0
IUPAC
Inchi InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
CIPAC 714
EPA Code 288201
Formula C12H13N3
SMILES n1c(cc(nc1Nc2ccccc2)C)C
Status Approved

Classification

Mode of Action Protective action with some curative properties
Pesticide Type Fungicide
Chemical Group Anilinopyrimidine
Classification anilinopyrimidine fungicides

Properties (Source:PubChem)

Molecular Weight 199.11
Physical State Colourless crystals
AlogP 2.05
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 206.15
Polar Surface Area 37.81

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 1.2 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.94 mg l-1
Aquatic invertebrates Acute 48 hour EC50 2.9 mg l-1
Aquatic plants Acute 7 day EC50, biomass 7.8 mg l-1
Birds Short term dietary LC50/LD50 > 5200 mg/kg feed
Birds Acute LD50 > 2000 mg kg-1
Earthworms Acute 14 day LD50 313 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 4.12 mg kg-1
Fish Chronic 21 day NOEC 1.6 mg l-1
Fish Acute 96 hour LC50 10.56 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 4150 mg kg-1
Mammals Short term dietary NOEL > 139 mg kg-1
Mammals Short term dietary NOEL > 900 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment 4.0 mg kg-1
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
HL 2 31(0,1,1,1) Details
thyroid peroxidase 31(0,1,1,1) Details
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